1,2,3-Tribenzylguanidine
TL;DR: 1,2,3-Tribenzylguanidine (CAS 5440-98-2) is a chemical compound with molecular formula C22H23N3 and molecular weight 329.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,2,3-tribenzylguanidine
Also Known As: 1,2,3-tribenzylguanidine, N,N',N''-tribenzylguanidine
| Molecular Formula | C22H23N3 |
|---|---|
| Molecular Weight | 329.19 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 36.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 8 |
| Exact Mass | 329.1892 |
| Heavy Atoms | 25 |
| Complexity | 351.0 |
Chemical Identifiers
| CAS Number | 5440-98-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)CNC(=NCC2=CC=CC=C2)NCC3=CC=CC=C3 |
| InChIKey | CRQXNVPOHIITIU-UHFFFAOYSA-N |
Product Overview
1,2,3-Tribenzylguanidine (CAS 5440-98-2), with molecular formula C22H23N3 and molecular weight 329.19 g/mol. IUPAC: 1,2,3-tribenzylguanidine.
Chemical Property Profile of 1,2,3-Tribenzylguanidine
Property Insights of 1,2,3-Tribenzylguanidine
The XLogP value of 4.1 indicates that 1,2,3-Tribenzylguanidine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 36.4 Ų, 1,2,3-Tribenzylguanidine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,2,3-Tribenzylguanidine has 2 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1,2,3-Tribenzylguanidine?
The CAS number of 1,2,3-Tribenzylguanidine is 5440-98-2.
What is the molecular formula of 1,2,3-Tribenzylguanidine?
The molecular formula of 1,2,3-Tribenzylguanidine is C22H23N3.
What is the molecular weight of 1,2,3-Tribenzylguanidine?
The molecular weight of 1,2,3-Tribenzylguanidine is 329.19 g/mol.
Where can I buy 1,2,3-Tribenzylguanidine?
You can request a quote for 1,2,3-Tribenzylguanidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,2,3-Tribenzylguanidine?
Yes, KEHONG BIO provides custom synthesis services for 1,2,3-Tribenzylguanidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.